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P-580417357

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Name File
SDF P-580417357.sdf
SMILES P-580417357.smiles
Standard InChI P-580417357.inchi
InChIKey P-580417357.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580417357 Debye Scientific General Catalog 95 by resynthesis (? - ? days)
Property Value
Components 2
Mass 115.112
logP 0.4616
H-bond acceptors 5
H-bond donors 2
Rotatable bonds 0
PSA 85.81
RO5 violations 0
RO3 violations 2
Refractivity 18.355
Atoms 11
Rings 0
Heavy atoms 6
Hydrogen atoms 5
Heteroatoms 6
N/O atoms 5
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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